NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
38393 | 1rg3 | 6040 | cing | 2-parsed | STAR | dihedral angle | 19 |
data_1rg3_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_1rg3 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 "Conversion project" NMR . parsed_1rg3 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_1rg3 _Entry.Title "Original constraint list(s)" _Entry.Version_type original _Entry.Submission_date . _Entry.Accession_date . _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination . _Entry.NMR_STAR_version 3.1 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1rg3 "Master copy" parsed_1rg3 stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_1rg3 _Constraint_stat_list.ID 1 loop_ _Constraint_file.ID _Constraint_file.Constraint_filename _Constraint_file.Software_ID _Constraint_file.Software_label _Constraint_file.Software_name _Constraint_file.Block_ID _Constraint_file.Constraint_type _Constraint_file.Constraint_subtype _Constraint_file.Constraint_subsubtype _Constraint_file.Constraint_number _Constraint_file.Entry_ID _Constraint_file.Constraint_stat_list_ID 1 1rg3.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1rg3 1 1 1rg3.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1rg3 1 1 1rg3.mr . . XPLOR/CNS 3 distance NOE simple 130 parsed_1rg3 1 1 1rg3.mr . . XPLOR/CNS 4 distance NOE ambi 71 parsed_1rg3 1 1 1rg3.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 19 parsed_1rg3 1 1 1rg3.mr . . XPLOR/CNS 6 distance "hydrogen bond" simple 0 parsed_1rg3 1 1 1rg3.mr . . n/a 7 comment "Not applicable" "Not applicable" 0 parsed_1rg3 1 1 1rg3.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1rg3 1 stop_ save_ save_CNS/XPLOR_dihedral_5 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_1rg3 _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 5 _Torsion_angle_constraint_list.Details "Generated by Wattos" loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Assembly_atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Seq_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Resonance_ID_1 _Torsion_angle_constraint.Assembly_atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Seq_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Resonance_ID_2 _Torsion_angle_constraint.Assembly_atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Seq_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Resonance_ID_3 _Torsion_angle_constraint.Assembly_atom_ID_4 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Seq_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Resonance_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Source_experiment_ID _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_1rg3 1 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 0 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_1rg3 1 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_1rg3 1 4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 0 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_1rg3 1 5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_1rg3 1 6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 0 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_1rg3 1 7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_1rg3 1 8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 0 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_1rg3 1 9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_1rg3 1 10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 0 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_1rg3 1 11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_1rg3 1 12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 0 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_1rg3 1 13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_1rg3 1 14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 0 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_1rg3 1 15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_1rg3 1 16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 0 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_1rg3 1 17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_1rg3 1 18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 0 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_1rg3 1 19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_1rg3 1 stop_ loop_ _TA_constraint_comment_org.ID _TA_constraint_comment_org.Comment_text _TA_constraint_comment_org.Comment_begin_line _TA_constraint_comment_org.Comment_begin_column _TA_constraint_comment_org.Comment_end_line _TA_constraint_comment_org.Comment_end_column _TA_constraint_comment_org.Entry_ID _TA_constraint_comment_org.Torsion_angle_constraint_list_ID 1 ; Dihedral angle restraints (based on secondary structure as defined by local NOE patterns) Phi (top) and psi (bottom) angles what the 4 numbers at the end of the assign statement mean: 1: energy constant 2: dihedral angle 3: allowed range around dihedral angle 4: exponent of the restraining function for beta strands: phi=-120 +/- 30 psi=120 +/- 40 for alpha helix: phi=-60 +/- 30 psi=-40 +/- 40 ; 2 1 10 49 parsed_1rg3 1 stop_ save_
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